%chk=000022023.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022023

0 1
O 4.376295 1.345950 -1.086004
O 5.037371 0.437257 1.629092
N -0.769126 -0.967416 -1.353305
N -3.691462 1.005045 1.071430
C -2.888969 -1.007834 -0.110052
C -3.220709 -2.413220 -0.610903
C -4.700535 -2.800236 -0.397953
C -5.113712 -2.500397 1.057114
C -5.057109 -0.979386 1.301179
C -3.811786 -0.301357 0.737727
C -1.730927 -0.328477 -0.558814
C -1.568888 1.084223 -0.222258
C -2.605342 1.703599 0.576013
C -0.259240 -2.338618 -1.136719
C -0.454628 1.892328 -0.628383
C 1.214396 -2.471517 -1.607541
C -2.514062 3.097734 0.892777
C 2.219992 -1.688250 -0.771941
C -0.391814 3.252328 -0.306770
C -1.434714 3.864141 0.453511
C 2.861308 -0.534545 -1.284906
C 2.517429 -2.090330 0.556438
C 3.778376 0.204100 -0.503162
C 3.455188 -1.379399 1.332604
C 4.107605 -0.242605 0.807680
C 4.122391 2.615853 -0.363055
C 6.423740 0.455905 1.105082
H -2.963470 -2.471740 -1.687267
H -2.592728 -3.172540 -0.100505
H -5.348402 -2.222486 -1.087364
H -4.839049 -3.871009 -0.640883
H -4.424895 -3.027475 1.747915
H -6.132293 -2.877156 1.267248
H -5.113384 -0.736850 2.378468
H -5.939322 -0.492562 0.839097
H -0.102023 -0.348515 -1.811619
H -0.325513 -2.591129 -0.059589
H -0.861809 -3.085475 -1.690286
H 0.385928 1.455480 -1.179150
H 1.276093 -2.161571 -2.669452
H 1.464709 -3.549698 -1.582793
H -3.324529 3.525434 1.491288
H 0.465024 3.852363 -0.634170
H -1.377221 4.930421 0.698877
H 2.668355 -0.184840 -2.306653
H 2.028004 -2.975647 0.979761
H 3.711168 -1.694830 2.349228
H 4.664593 3.387131 -0.930771
H 4.491660 2.562363 0.676400
H 3.038855 2.837688 -0.358073
H 7.001776 1.049243 1.829648
H 6.464078 0.919707 0.102850
H 6.824226 -0.574383 1.056611


%chk=000022023-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022023

0 1
O 4.118788 1.140553 -1.755272
O 5.363714 0.873453 0.888652
N -0.533966 -1.101886 -0.512067
N -3.968621 1.033922 0.901497
C -2.978108 -0.995635 -0.095808
C -3.225171 -2.330372 -0.791276
C -4.697094 -2.539867 -1.208862
C -5.625064 -2.241356 -0.013652
C -5.513691 -0.751371 0.365261
C -4.083389 -0.221223 0.407779
C -1.675000 -0.439602 -0.016693
C -1.514832 0.898668 0.532157
C -2.707595 1.602344 0.948755
C -0.123840 -2.475566 -0.148695
C -0.247375 1.549693 0.696399
C 1.235644 -2.812614 -0.820136
C -2.596193 2.938811 1.452970
C 2.351072 -1.861649 -0.402206
C -0.164837 2.852152 1.200016
C -1.350779 3.559356 1.569758
C 2.768038 -0.809667 -1.256123
C 2.949542 -1.965747 0.881459
C 3.751507 0.119187 -0.848525
C 3.952485 -1.060742 1.286009
C 4.372272 -0.021614 0.425824
C 3.819286 2.515403 -1.287040
C 6.612176 0.888675 0.088625
H -2.559940 -2.395776 -1.675498
H -2.940182 -3.170381 -0.122139
H -4.953705 -1.864825 -2.049734
H -4.833864 -3.577129 -1.569585
H -5.329486 -2.878578 0.844289
H -6.675847 -2.490215 -0.253600
H -5.980410 -0.543648 1.345672
H -6.073518 -0.136810 -0.368414
H 0.281200 -0.489861 -0.615998
H -0.024440 -2.580908 0.955223
H -0.874531 -3.210884 -0.480454
H 0.687866 1.026064 0.460780
H 1.100992 -2.783594 -1.917202
H 1.495373 -3.852269 -0.545483
H -3.524377 3.439840 1.745380
H 0.814850 3.325796 1.330174
H -1.276739 4.580800 1.959356
H 2.336073 -0.688862 -2.256471
H 2.639374 -2.767613 1.561950
H 4.435174 -1.143732 2.265162
H 4.197292 3.181994 -2.076678
H 4.323304 2.725539 -0.326389
H 2.725662 2.646683 -1.176426
H 7.245235 1.660431 0.551942
H 6.404331 1.137710 -0.967330
H 7.112242 -0.096278 0.150368


